4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole

C10H6F3NS — CID 91054630

IUPAC4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole
SMILESFc1cc(F)c(Cc2cscn2)c(F)c1
InChIInChI=1S/C10H6F3NS/c11-6-1-9(12)8(10(13)2-6)3-7-4-15-5-14-7/h1-2,4-5H,3H2
InChIKeyZYTNJJVODJMIHC-UHFFFAOYSA-N
MW229.23 g/mol
LogP3.15
Rot. Bonds2

About 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole

4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole (PubChem CID 91054630) has the molecular formula C10H6F3NS and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole
PubChem CID91054630
Molecular FormulaC10H6F3NS
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole
SMILESFc1cc(F)c(Cc2cscn2)c(F)c1
InChIInChI=1S/C10H6F3NS/c11-6-1-9(12)8(10(13)2-6)3-7-4-15-5-14-7/h1-2,4-5H,3H2
InChIKeyZYTNJJVODJMIHC-UHFFFAOYSA-N
XLogP3.15
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole?
The IUPAC name of 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole (CID 91054630) is 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole.
What is the SMILES notation for 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole?
The canonical SMILES for 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole is Fc1cc(F)c(Cc2cscn2)c(F)c1.
What is the InChIKey of 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole?
The InChIKey is ZYTNJJVODJMIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NS/c11-6-1-9(12)8(10(13)2-6)3-7-4-15-5-14-7/h1-2,4-5H,3H2.
What are the key properties of 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole?
4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole has a molecular weight of 229.23 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4,6-trifluorophenyl)methyl]-1,3-thiazole is sourced from PubChem (CID 91054630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).